EMPEDOPEPTIN ,87551-98-2 _Chemical Cloud Database

EMPEDOPEPTIN

Basic Information
Product Name：	EMPEDOPEPTIN
CAS：	87551-98-2
English Synonyms：	EMPEDOPEPTIN
MDL Number.：	MFCD01729553
H bond acceptor：	30
H bond donor：	15
Smile：	CCCCCCCCCCCC1CC(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@H](C(=O)O1)[C@@H](C(=O)O)O)O)CO)[C@H](C(=O)O)O)CCCNC(=N)N)CO
InChi：	InChI=1S/C49H79N11O19/c1-2-3-4-5-6-7-8-9-10-14-27-22-34(64)58-19-12-16-31(58)40(68)54-29(24-61)44(72)59-20-13-17-32(59)41(69)53-28(15-11-18-52-49(50)51)39(67)56-35(37(65)46(74)75)43(71)55-30(25-62)45(73)60-23-26(63)21-33(60)42(70)57-36(48(78)79-27)38(66)47(76)77/h26-33,35-38,61-63,65-66H,2-25H2,1H3,(H,53,69)(H,54,68)(H,55,71)(H,56,67)(H,57,70)(H,74,75)(H,76,77)(H4,50,51,52)/t26-,27?,28+,29-,30-,31-,32+,33+,35-,36+,37-,38+/m1/s1
InChiKey：	InChIKey=RQOSLWIPXXNGEG-MQVYISGESA-N

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